Formula | C20H24N4O |
MW | 336.44 |
InChIKey | TZRIRFKREHNRCR-UHFFFAOYSA-P |
hba | 2 |
hbd | 2 |
lipinski_violations | 0 |
pains_match | 0 |
reactivity | 0 |
rotatable_bonds | 7 |
veber_rule | 1 |
b_m_subgroup_collapsed | 0 |
drug_score | 0.6647 |
logp | 1.0483 |
mw | 336.439 |
molecular_weight | 336.439 |
qed_score | 0.6647 |
tpsa | 75.81 |
s_m_entry_id | 1262 |
s_m_subgroup_title | test |
s_m_subgroupid | test |
nmr_koda | ni NMR podatkov |
nova_ali_stara_spojina | FKKT-FFA knjiznica |
smiles | [NH3+]CCc1c(C(=O)NCCc2ccccc2)c[nH+]n1-c1ccccc1 |
dodaten_komentar | 0 |
fizicna_ali_virtualna_spojina | fizicen vzorec |
koda_racka_1_nunc | R000045561 |
koda_racka_fkkt | 19 |
koda_viale | NA0019513693 |
literaturno_znana_neznana_ali_komercialna_spojina | literaturno neznana |
lokacija | FKKT hladilnik 1 |
masa_mg | 549 |
pozicija_v_racku_in_rack | 19C7 |
raziskovalec | J. Svete |
raziskovalna_skupina | prof. dr. Jurij Svete |
trden_tekoc_vzorec_ali_raztopina | Trdna spojina |
velikost_viale | 2 mL |